SCHEMBL10907002

SCHEMBL10907002

CCNC(=O)N(C(=N)N)c1c(C)cc(OC(F)(F)F)c(OC(F)(F)F)c1C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.31
ABL1 P00519 2/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10903777 0.87 SLC6A2 (0.31) SLC6A2SLC6A4
SCHEMBL10906944 0.86 ABL1 (0.33) SCN9AABL1SLC6A2SLC6A4
SCHEMBL10907691 0.85 SLC6A2 (0.33) SCN9AABL1SLC6A2SLC6A4
SCHEMBL10906685 0.83
SCHEMBL10905604 0.82 LMNA (0.36) ABL1SLC6A2SLC6A4
SCHEMBL10907705 0.81 KMT2A (0.36) SLC6A2SLC6A4
SCHEMBL10907913 0.81 TSHR (0.42)
SCHEMBL10907009 0.80 POLB (0.40) SLC6A2SLC6A4
SCHEMBL10907708 0.76 HDAC4 (0.32)
SCHEMBL10905715 0.75 HDAC4 (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4564640-A Amidinoureas substituted in both the urea and amidino nitrogen positions WILLIAM H. RORER, INC. (US) 1986-01-14 US disclosed